2-(4-methoxy-3-methylphenyl)guanidine

C9H13N3O — CID 62380394

IUPAC2-(4-methoxy-3-methylphenyl)guanidine
SMILESCOc1ccc(N=C(N)N)cc1C
InChIInChI=1S/C9H13N3O/c1-6-5-7(12-9(10)11)3-4-8(6)13-2/h3-5H,1-2H3,(H4,10,11,12)
InChIKeyYCCABNVKAUHJLG-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.91
Rot. Bonds2

About 2-(4-methoxy-3-methylphenyl)guanidine

2-(4-methoxy-3-methylphenyl)guanidine (PubChem CID 62380394) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)guanidine.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)guanidine
PubChem CID62380394
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-(4-methoxy-3-methylphenyl)guanidine
SMILESCOc1ccc(N=C(N)N)cc1C
InChIInChI=1S/C9H13N3O/c1-6-5-7(12-9(10)11)3-4-8(6)13-2/h3-5H,1-2H3,(H4,10,11,12)
InChIKeyYCCABNVKAUHJLG-UHFFFAOYSA-N
XLogP0.91
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(4-methoxy-3-methylphenyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methoxy-3-methylphenyl)propan-2-imine
CID 139454493
2-(4-fluoro-3-methoxyphenyl)guanidine
CID 114840791
N,1-bis(4-methoxy-3-methylphenyl)propan-2-imine
CID 139454386
methyl 4-(diaminomethylideneamino)-2-methoxybenzoate;hydrochloride
CID 117064548
N'-(3,4-dimethoxyphenyl)benzenecarboximidamide
CID 24834403
2-(5-fluoro-2-methoxyphenyl)guanidine
CID 82490728
1-methoxy-2,4-dimethyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 169444379
(4,5-dimethoxy-2-methylphenyl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate
CID 8776679
N'-(4-chloro-3-methoxyphenyl)ethanimidamide
CID 107623277
(1S)-1-(4-methoxy-3-methylphenyl)ethanol
CID 39236071
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
N-(3-chloro-4-methoxyphenyl)propan-2-imine
CID 11745602

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)guanidine?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)guanidine (CID 62380394) is 2-(4-methoxy-3-methylphenyl)guanidine.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)guanidine?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)guanidine is COc1ccc(N=C(N)N)cc1C.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)guanidine?
The InChIKey is YCCABNVKAUHJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6-5-7(12-9(10)11)3-4-8(6)13-2/h3-5H,1-2H3,(H4,10,11,12).
What are the key properties of 2-(4-methoxy-3-methylphenyl)guanidine?
2-(4-methoxy-3-methylphenyl)guanidine has a molecular weight of 179.22 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)guanidine is sourced from PubChem (CID 62380394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).